4-[5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
4-[5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 8017-1065 |
| Compound Name: | 4-[5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid |
| Molecular Weight: | 442.39 |
| Molecular Formula: | C17 H11 F N8 O4 S |
| Smiles: | C(c1ccccc1F)n1c(nc(n1)[N+]([O-])=O)Sc1nnnn1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3259 |
| logD: | 0.4397 |
| logSw: | -3.5574 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 124.974 |
| InChI Key: | ZTVWJGOTOJQPIV-UHFFFAOYSA-N |